2-naphthalen-1-yl-4,5-dihydro-1H-imidazole

C13H12N2 — CID 26137

IUPAC2-naphthalen-1-yl-4,5-dihydro-1H-imidazole
SMILESc1ccc2c(C3=NCCN3)cccc2c1
InChIInChI=1S/C13H12N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-7H,8-9H2,(H,14,15)
InChIKeyMDCXOIKCXHEYQK-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.19
Rot. Bonds1

About 2-naphthalen-1-yl-4,5-dihydro-1H-imidazole

2-naphthalen-1-yl-4,5-dihydro-1H-imidazole (PubChem CID 26137) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-4,5-dihydro-1H-imidazole
PubChem CID26137
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2-naphthalen-1-yl-4,5-dihydro-1H-imidazole
SMILESc1ccc2c(C3=NCCN3)cccc2c1
InChIInChI=1S/C13H12N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-7H,8-9H2,(H,14,15)
InChIKeyMDCXOIKCXHEYQK-UHFFFAOYSA-N
XLogP2.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-naphthalen-1-yl-4,5-dihydro-1H-imidazole (CID 26137) is 2-naphthalen-1-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-naphthalen-1-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-naphthalen-1-yl-4,5-dihydro-1H-imidazole is c1ccc2c(C3=NCCN3)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-4,5-dihydro-1H-imidazole?
The InChIKey is MDCXOIKCXHEYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-7H,8-9H2,(H,14,15).
What are the key properties of 2-naphthalen-1-yl-4,5-dihydro-1H-imidazole?
2-naphthalen-1-yl-4,5-dihydro-1H-imidazole has a molecular weight of 196.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 26137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).